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  1. ALA4759058

    Name:
    (R)-Ketamine

    Mol. Formula:
    C14H17ClO

    M.W.:
    236.74

    Type:
    Unknown

    AlogP:
    4.13

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  2. Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    73.80

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  3. ALA4755560

    Name:
    NA

    Mol. Formula:
    C15H13N

    M.W.:
    207.28

    Type:
    Unknown

    AlogP:
    2.98

    Polar Surface Area:
    12.03

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.70

    DETAILS
  4. ALA5273904

    Name:
    1-(9H-carbazol-9-yl)-3-(2-ethyl-8-methyl-1,2,3,4-t
    Show More

    Mol. Formula:
    C29H31N3O

    M.W.:
    437.59

    Type:
    ---

    AlogP:
    5.50

    Polar Surface Area:
    33.33

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  5. ALA5271629

    Name:
    1-(9H-carbazol-9-yl)-3-(2,8-dimethyl-1,2,3,4-tetra
    Show More

    Mol. Formula:
    C28H29N3O

    M.W.:
    423.56

    Type:
    ---

    AlogP:
    5.11

    Polar Surface Area:
    33.33

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  6. ALA5208606

    Name:
    2-((6S)-9-bromo-6-methyl-2,3-dioxo-1,2,3,5,6,7-hex
    Show More

    Mol. Formula:
    C14H13BrN2O4

    M.W.:
    353.17

    Type:
    ---

    AlogP:
    1.66

    Polar Surface Area:
    92.16

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  7. ALA5208012

    Name:
    2-((6S)-9-bromo-6-methyl-2,3-dioxo-1,2,3,5,6,7-hex
    Show More

    Mol. Formula:
    C20H18BrN3O3

    M.W.:
    428.29

    Type:
    ---

    AlogP:
    3.21

    Polar Surface Area:
    83.96

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  8. ALA5202551

    Name:
    N1-(1-phenylcyclohexyl)hexane-1,6-diamine dihydroc
    Show More

    Mol. Formula:
    C18H32Cl2N2

    M.W.:
    347.37

    Type:
    ---

    AlogP:
    3.95

    Polar Surface Area:
    38.05

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  9. ALA5185347

    Name:
    2-((6S)-9-bromo-6-ethyl-2,3-dioxo-1,2,3,5,6,7-hexa
    Show More

    Mol. Formula:
    C15H15BrN2O4

    M.W.:
    367.20

    Type:
    ---

    AlogP:
    2.05

    Polar Surface Area:
    92.16

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  10. ALA5184678

    Name:
    4-((3-(((1r,3R,5S,7r)-3,5-dimethyladamantan-1-yl)a
    Show More

    Mol. Formula:
    C22H28N2O3

    M.W.:
    368.48

    Type:
    ---

    AlogP:
    3.68

    Polar Surface Area:
    78.43

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  11. ALA4443742

    Name:
    3-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3
    Show More

    Mol. Formula:
    C26H30F3N5O

    M.W.:
    485.55

    Type:
    Unknown

    AlogP:
    4.63

    Polar Surface Area:
    44.09

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  12. ALA4440079

    Name:
    3,6-dimethyl-9-[8-methyl-2-(trifluoromethyl)imidaz
    Show More

    Mol. Formula:
    C23H24F3N3

    M.W.:
    399.46

    Type:
    Unknown

    AlogP:
    6.39

    Polar Surface Area:
    20.54

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  13. ALA3219497

    Name:
    (S)-5-(aminomethyl)piperazine-2,3-dione

    Mol. Formula:
    C5H9N3O2

    M.W.:
    143.15

    Type:
    Small molecule

    AlogP:
    -2.44

    Polar Surface Area:
    84.22

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  14. ALA3219496

    Name:
    3-(3-(ethylamino)propanamido)propanoic acid

    Mol. Formula:
    C8H16N2O3

    M.W.:
    188.23

    Type:
    Small molecule

    AlogP:
    -0.42

    Polar Surface Area:
    78.43

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  15. ALA3219495

    Name:
    (R)-2-(2-aminoethylamino)propanoic acid

    Mol. Formula:
    C5H12N2O2

    M.W.:
    132.16

    Type:
    Small molecule

    AlogP:
    -0.99

    Polar Surface Area:
    75.35

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  16. ALA2346959

    Name:
    amino(2-(4-(methoxycarbonyl)benzylidene)hydrazinyl
    Show More

    Mol. Formula:
    C10H13ClN4O2

    M.W.:
    256.69

    Type:
    Small molecule

    AlogP:
    0.29

    Polar Surface Area:
    100.56

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  17. ALA2346958

    Name:
    amino(2-(3-(methoxycarbonyl)benzylidene)hydrazinyl
    Show More

    Mol. Formula:
    C10H13ClN4O2

    M.W.:
    256.69

    Type:
    Small molecule

    AlogP:
    0.29

    Polar Surface Area:
    100.56

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  18. ALA2346957

    Name:
    amino(2-(4-cyanobenzylidene)hydrazinyl)methanimini
    Show More

    Mol. Formula:
    C9H10ClN5

    M.W.:
    223.67

    Type:
    Small molecule

    AlogP:
    0.38

    Polar Surface Area:
    98.05

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  19. ALA2346956

    Name:
    amino(2-(3-cyanobenzylidene)hydrazinyl)methanimini
    Show More

    Mol. Formula:
    C9H10ClN5

    M.W.:
    223.67

    Type:
    Small molecule

    AlogP:
    0.38

    Polar Surface Area:
    98.05

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  20. ALA2346955

    Name:
    amino(2-(4-tert-butylbenzylidene)hydrazinyl)methan
    Show More

    Mol. Formula:
    C12H19ClN4

    M.W.:
    254.76

    Type:
    Small molecule

    AlogP:
    1.80

    Polar Surface Area:
    74.26

    HBA:
    2

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
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